| Exploring allosteric pathways of a v-type enzyme with dynamical perturbation networks A Gheeraert, L Pacini, VS Batista, L Vuillon, C Lesieur, I Rivalta The Journal of Physical Chemistry B 123 (16), 3452-3461, 2019 | 33 | 2019 |
| On the spectroscopic modeling of localized defects in sodalites by TD-DFT P Colinet, A Gheeraert, A Curutchet, T Le Bahers The Journal of Physical Chemistry C 124 (16), 8949-8957, 2020 | 19 | 2020 |
| Distinct allosteric pathways in imidazole glycerol phosphate synthase from yeast and bacteria F Maschietto, A Gheeraert, A Piazzi, VS Batista, I Rivalta Biophysical Journal 121 (1), 119-130, 2022 | 10 | 2022 |
| Singular interface dynamics of the SARS-CoV-2 delta variant explained with contact perturbation analysis A Gheeraert, L Vuillon, L Chaloin, O Moncorgé, T Very, S Perez, V Leroux, ... Journal of chemical information and modeling 62 (12), 3107-3122, 2022 | 8* | 2022 |
| Turning up the heat mimics allosteric signaling in imidazole-glycerol phosphate synthase F Maschietto, UN Morzan, F Tofoleanu, A Gheeraert, A Chaudhuri, ... Nature communications 14 (1), 2239, 2023 | 7 | 2023 |
| ATLAS: protein flexibility description from atomistic molecular dynamics simulations Y Vander Meersche, G Cretin, A Gheeraert, JC Gelly, T Galochkina Nucleic Acids Research 52 (D1), D384-D392, 2024 | 5 | 2024 |
| Elucidating the activation mechanism of AMPK by direct pan-activator PF-739 E Aledavood, A Gheeraert, A Forte, L Vuillon, I Rivalta, FJ Luque, ... Frontiers in molecular biosciences, 1026, 2021 | 2 | 2021 |
| Connected Component Analysis of Dynamical Perturbation Contact Networks A Gheeraert, C Lesieur, VS Batista, L Vuillon, I Rivalta The Journal of Physical Chemistry B 127 (35), 7571-7580, 2023 | 1 | 2023 |
| A multidisciplinary approach to the study of protein dynamics and signal transmission A Gheeraert alma, 2022 | | 2022 |
| Deep learning based prediction of protein-carbohydrate interfaces T GALOCHKINA, A GHEERAERT, T BAILLY, Y REN, Y VANDER | | |
